2-bromo-N-(2-bromo-6-fluorophenyl)-6-methoxyaniline

C13H10Br2FNO — CID 155931090

IUPAC2-bromo-N-(2-bromo-6-fluorophenyl)-6-methoxyaniline
SMILESCOc1cccc(Br)c1Nc1c(F)cccc1Br
InChIInChI=1S/C13H10Br2FNO/c1-18-11-7-3-5-9(15)13(11)17-12-8(14)4-2-6-10(12)16/h2-7,17H,1H3
InChIKeyMYCXGNOYBGDJFV-UHFFFAOYSA-N
MW375.04 g/mol
LogP5.10
Rot. Bonds3

About 2-bromo-N-(2-bromo-6-fluorophenyl)-6-methoxyaniline

2-bromo-N-(2-bromo-6-fluorophenyl)-6-methoxyaniline (PubChem CID 155931090) has the molecular formula C13H10Br2FNO and a molecular weight of 375.04 g/mol. Its IUPAC name is 2-bromo-N-(2-bromo-6-fluorophenyl)-6-methoxyaniline.

Molecular Properties

Compound Name2-bromo-N-(2-bromo-6-fluorophenyl)-6-methoxyaniline
PubChem CID155931090
Molecular FormulaC13H10Br2FNO
Molecular Weight375.04 g/mol
Exact Mass372.91
IUPAC Name2-bromo-N-(2-bromo-6-fluorophenyl)-6-methoxyaniline
SMILESCOc1cccc(Br)c1Nc1c(F)cccc1Br
InChIInChI=1S/C13H10Br2FNO/c1-18-11-7-3-5-9(15)13(11)17-12-8(14)4-2-6-10(12)16/h2-7,17H,1H3
InChIKeyMYCXGNOYBGDJFV-UHFFFAOYSA-N
XLogP5.10
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500375.04
LogP ≤ 55.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-bromo-N-(2-bromo-6-fluorophenyl)-6-methoxyaniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-(2-bromo-6-fluorophenyl)-6-methoxyaniline?
The IUPAC name of 2-bromo-N-(2-bromo-6-fluorophenyl)-6-methoxyaniline (CID 155931090) is 2-bromo-N-(2-bromo-6-fluorophenyl)-6-methoxyaniline.
What is the SMILES notation for 2-bromo-N-(2-bromo-6-fluorophenyl)-6-methoxyaniline?
The canonical SMILES for 2-bromo-N-(2-bromo-6-fluorophenyl)-6-methoxyaniline is COc1cccc(Br)c1Nc1c(F)cccc1Br.
What is the InChIKey of 2-bromo-N-(2-bromo-6-fluorophenyl)-6-methoxyaniline?
The InChIKey is MYCXGNOYBGDJFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10Br2FNO/c1-18-11-7-3-5-9(15)13(11)17-12-8(14)4-2-6-10(12)16/h2-7,17H,1H3.
What are the key properties of 2-bromo-N-(2-bromo-6-fluorophenyl)-6-methoxyaniline?
2-bromo-N-(2-bromo-6-fluorophenyl)-6-methoxyaniline has a molecular weight of 375.04 g/mol, XLogP of 5.10, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-(2-bromo-6-fluorophenyl)-6-methoxyaniline is sourced from PubChem (CID 155931090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).